Application of R-matrix theory to resonant reactive electron-molecule scattering: Vibrational excitation and dissociative attachment of N/sub 2/ and F/sub 2/

Journal Article · Thu Nov 01 00:00:00 EST 1984 · Phys. Rev. A; (United States)

DOI:https://doi.org/10.1103/PhysRevA.30.2264· OSTI ID:6248423

Wong, C F; Light, J C

Based on the R-matrix approach of Schneider et al. (J. Phys. B 12, L 365 (1979)) to reactive electron-molecule scattering, a new propagative R-matrix method (PRMM) is presented which is more appropriate for polyatomic systems. The new method should be useful in other calculations where complicated integrals need to be propagated. We also introduce an effective R-matrix model (ERMM) in which the usual resonance parameters (potential and width) can be used as input in model R-matrix calculations. The PRMM and ERMM have been applied to the electron-N/sub 2/ system and the electron-F/sub 2/ system. The results agree very well with previous calculations for both vibrationally inelastic scattering and dissociative attachment when identical potentials and parameters are used.

• Research Organization: The James Franck Institute and Department of Chemistry, The University of Chicago, Chicago, Illinois 60637
• DOE Contract Number: AC02-78ER04908
• OSTI ID: 6248423
• Journal Information: Phys. Rev. A; (United States), Vol. 30:5
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
ELECTRON-MOLECULE COLLISIONS
DISSOCIATION
ELECTRON ATTACHMENT
EXCITATION
FLUORINE
NITROGEN
R MATRIX
VIBRATIONAL STATES
COLLISIONS
ELECTRON COLLISIONS
ELEMENTS
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EXCITED STATES
HALOGENS
MATRICES
MOLECULE COLLISIONS
NONMETALS
640304* - Atomic
Molecular & Chemical Physics- Collision Phenomena